Information card for entry 7704939

Structure parameters

• Formula: C34 H42 Cl5 N3 O2 Ru
• Calculated formula: C34 H42 Cl5 N3 O2 Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)CCCNC(=O)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClC(Cl)Cl
• Title of publication: Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.
• Authors of publication: Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11618 - 11627
• a: 11.1473 ± 0.0002 Å
• b: 13.3189 ± 0.0002 Å
• c: 24.8255 ± 0.0005 Å
• α: 90°
• β: 96.698 ± 0.007°
• γ: 90°
• Cell volume: 3660.68 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No